4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide

C24H17Cl2N5O2 — CID 58614771

About 4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide

4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide (PubChem CID 58614771) has the molecular formula C24H17Cl2N5O2 and a molecular weight of 478.34 g/mol. Its IUPAC name is 4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

• Compound Name: 4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide
• PubChem CID: 58614771
• Molecular Formula: C24H17Cl2N5O2
• Molecular Weight: 478.34 g/mol
• Exact Mass: 477.08
• IUPAC Name: 4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide
• SMILES: Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)cn1
• InChI: InChI=1S/C24H17Cl2N5O2/c25-19-8-5-15(12-18(19)21-3-1-2-10-28-21)30-24(33)17-7-4-14(11-20(17)26)23(32)31-16-6-9-22(27)29-13-16/h1-13H,(H2,27,29)(H,30,33)(H,31,32)
• InChIKey: OCBAGDLZHIUWOX-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 110.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.34
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide?

The IUPAC name of 4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide (CID 58614771) is 4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide.

What is the SMILES notation for 4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide?

The canonical SMILES for 4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide is Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)cn1.

What is the InChIKey of 4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide?

The InChIKey is OCBAGDLZHIUWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N5O2/c25-19-8-5-15(12-18(19)21-3-1-2-10-28-21)30-24(33)17-7-4-14(11-20(17)26)23(32)31-16-6-9-22(27)29-13-16/h1-13H,(H2,27,29)(H,30,33)(H,31,32).

What are the key properties of 4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide?

4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 478.34 g/mol, XLogP of 5.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 58614771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).